49360

Glutakonsäure

97% (T)

• Synonym(e): 2-Pentendisäure
• Lineare Formel: HOOCCH₂CH=CHCOOH
• CAS-Nummer: 1724-02-3
• Molekulargewicht: 130.10
• Beilstein: 1759560
• EG-Nummer: 217-027-0
• MDL-Nummer: MFCD00002784
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 57651185
• NACRES: NA.22

Eigenschaften

• Qualitätsniveau: 100
• Assay: 97% (T)
• SMILES String: OC(=O)C\C=C\C(O)=O
• InChI: 1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+
• InChIKey: XVOUMQNXTGKGMA-OWOJBTEDSA-N

Beschreibung

Allgemeine Beschreibung

Glutaconic acid, also known as 2-pentenedioic acid, is an unsaturated dicarboxylic acid. It is formed as one of the degradation products during the partial wet oxidation (PWO) of alkali lignin. The analysis of its crystal structure indicates that the compound exists predominantly in the trans-conformation. The geometric bond lengths and bond angles of glutaconic acid have been obtained using Hartree–Fock (HF), density functional calculations and IR spectral data.

Anwendung

Glutaconic acid has been used in the preparation of CoA-substrate glutaconyl-CoA by reacting with acetyl-CoA. It may be used in the preparation of 6-chloro-2(2H)-pyranone by reacting with phosphorus pentachloride (PCl₅).

Sicherheitshinweise

• Lagerklassenschlüssel: 11 - Combustible Solids
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Persönliche Schutzausrüstung: Eyeshields, Gloves, type N95 (US)